[4-azanyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [4-azanyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate Openeye Name: [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate CAS Name: [4-amino-2-(trifluoromethyl)-5-pyrimidinyl]methyl phosphono hydrogen phosphate IUPAC Name: [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate Traditional Name: [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate Formula: C6H8F3N3O7P2 MolecularWeight: 353.086352

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)C(F)(F)F)N)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=C(C(=NC(=N1)C(F)(F)F)N)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C6H8F3N3O7P2/c7-6(8,9)5-11-1-3(4(10)12-5)2-18-21(16,17)19-20(13,14)15/h1H,2H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)